Geometry & MOs

Info

ID:	190794
PubChem CID:	78058388
Reduced:	BrFO3N4C29H36 (1)
Stoich.:	ABC3D4E29F36 (1)
Weight, g/mol:	514.31552
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	2.94
IP(EA), eV:	-8.8(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclobutylmethyl)-1-(6,7-dimethoxy-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)piperidin-4-yl] N-benzylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NC(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)Br)N(CC(CN)F)C(=O)OC4CCCO4

DOS

IR

Vibrations